ethyl 2-[[5-indol-3-ylidene-4-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[[5-indol-3-ylidene-4-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[[5-indol-3-ylidene-4-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanoate CAS Name: 2-[[5-(3-indolylidene)-4-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-indol-3-ylidene-4-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanoate Traditional Name: 2-[[5-indol-3-ylidene-4-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-3-keto-butyric acid ethyl ester Formula: C23H22N4O4S MolecularWeight: 450.51018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H22N4O4S/c1-4-31-22(29)20(14(2)28)32-23-26-25-21(18-13-24-19-11-6-5-10-17(18)19)27(23)15-8-7-9-16(12-15)30-3/h5-13,20,25H,4H2,1-3H3